N-cyclopropyl-1-(furan-2-ylmethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 568644
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C(=O)(N(C1CC1)Cc1cn(nc1)C)C1CN(Cc2occc2)CCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1cnn(c1)C)C1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C19H26N4O2/c1-21-11-15(10-20-21)12-23(17-6-7-17)19(24)16-4-2-8-22(13-16)14-18-5-3-9-25-18/h3,5,9-11,16-17H,2,4,6-8,12-14H2,1H3
• InChIKey: OHOUDSJGWQTGLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(furan-2-ylmethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(furan-2-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1-(2-furylmethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3943745
• LogD (pH = 7.4): 0.36066604
• Log P: 1.4622146
• Molar Refractivity: 107.5623 cm^3
• Polarizability: 36.891632 Å^3
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -3.06
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 6